SCHEMBL21048546

SCHEMBL21048546

O=C1c2cccnc2C(=O)C1c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
TP53 P04637 3/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPK1 P28482 1/20 0.62
HTR2B P41595 1/20 0.62
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK10 P53779 1/20 0.55
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 1/20 0.49
PTPRC P08575 2/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
PTPN13 Q12923 1/20 0.47
MEN1 O00255 4/20 0.47
GAA P10253 2/20 0.47
TDP2 O95551 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14940277 0.81 KMT2A (0.42) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL21048499 0.81 MAPT (0.42) MAPTTP53LMNACYP1A2CYP3A4
Phenindione SCHEMBL33831 0.78 MAPT (1.00) MAPTTP53LMNACYP1A2CYP3A4
Phenindione SCHEMBL29388073 0.78 MAPT (1.00) MAPTTP53LMNACYP1A2CYP3A4
Phenindione SCHEMBL1443973 0.76 MAPT (0.95) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL10559114 0.76 MAPT (0.95) MAPTTP53LMNACYP1A2CYP3A4
Phenindione SCHEMBL6827577 0.76 MAPT (0.95) MAPTTP53LMNACYP1A2CYP3A4
Phenindione SCHEMBL16782144 0.74 MAPT (0.91) MAPTTP53LMNACYP1A2CYP3A4
SCHEMBL5782123 0.71 MEN1 (0.47) MAPTTP53SMN1; SMN2KMT2APTPRC
SCHEMBL855370 0.71 RAB9A (1.00) MAPTTP53LMNACYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3611158-B1 1,3-DI-OXO-INDENE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ANTIVIRAL, ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2023-12-20 EP disclosed
EP-2722322-B1 1,3-DI-OXO-INDENE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT OR OPTICAL ISOMER THEREOF, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS AN ANTIVIRAL, ACTIVE INGREDIENT KOREA RES INST CHEMICAL TECH (KR) 2019-06-12 EP disclosed